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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8720544
8720544
8720545
8720545
9204189
9204189

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Popular Name: (2S)-4-[2-[(5R)-5-(2-furyl)-3-(p-tolyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethyl]-N-methyl-2,3-dihydro-1 (2S)-4-[2-[(5R)-5-(2-furyl)-3-(p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 8.66 -21.48 1 8 0 87 458.518 5 ↓

Analogs

13128829
13128829
8747248
8747248
8747249
8747249
9207731
9207731

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Popular Name: (2S)-4-[2-[(5R)-5-(2-furyl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethyl]-N-methyl-2,3-d (2S)-4-[2-[(5R)-5-(2-furyl)-3-(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 7.28 -22.83 1 9 0 97 474.517 6 ↓

Analogs

8747248
8747248
8747249
8747249
9207731
9207731

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[2-[(5R)-5-(2-furyl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethyl]-N-methyl-2,3-d (2R)-4-[2-[(5R)-5-(2-furyl)-3-(4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 7.75 -18.78 1 9 0 97 474.517 6 ↓

Parameters Provided:

ring.id = 115686
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 115686 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=115686&filter.purchasability=annotated

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